Research Thrust I
To establish the MP2 relationship over thermoplastic composites’ life cycle, it is necessary to develop a computational framework based on a multiscale approach that can make efficient and precise prediction of thermo-mechanical behavior of thermoplastic composites by combining the strengths of each of the models in different scales. In the DLC framework, the computational modeling scheme containing three levels of interconnected models and simulations (molecular dynamics, coarse-grained molecular dynamics, and continuum mechanics models), with the integration of a probabilistic graphical uncertainty quantification model and E3 analysis strategy, is expected to be able to achieve an uncertainty- and E3 -aware, multiscale analysis of the manufacturing process of a composite material system.
Objectives of Thrust I
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Establish atomistic-continuum micromechanics models for computational analysis of the multiscale, multiphase, and multiphysics manufacturing process to predict after-process microstructure and properties.
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Develop microscale models to bridge between multi-physics-based nanoscale models and macroscale material models and construct 3D RVEs that accurately reflect the microstructure.
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Develop and verify computationally efficient continuum scale models that account for the nonlinear, anisotropic, and time/rate-dependent thermo-mechanical behavior of thermoplastic composites.
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Generate a sufficient amount of data linking the microstructure with the macroscopic thermo-mechanical performance for training and validation of the physics-based AI model.
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Achieve uncertainty characterization over the entire DLC system as well as assess the decision uncertainty in the manufacturing process through a probabilistic graphical model (UQPGM) approach.
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Develop a decision support system (DSS) to enable evaluation of the energy, economic, and environmental (E3) impacts of fiber-reinforced polymer composites.